SCHEMBL2220167

SCHEMBL2220167

CC(C)(C)c1ccccc1P

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KIF11 P52732 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX12 P18054 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27895267 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Bromide SCHEMBL15251935 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Iodide SCHEMBL11520712 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Acetonitrile SCHEMBL28314275 0.87 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL301235 0.79 CA2 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL21723685 0.79 ALDH1A1 (0.36) ALDH1A1TDP1TSHRCA2
SCHEMBL29355273 0.78 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL580584 0.78 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL766664 0.77 CA2 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL380248 0.77 CA2 (0.46) ALDH1A1TDP1TSHRCA2GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082157-A Method for preparing organic carboxylic ester by olefine unsaturated compound alkoxycarbonyl reaction 上海梓龄化工技术有限公司 2023-05-09 CN claimed
CN-111875637-B Phosphine ligand and synthesis method and application thereof 中国科学院兰州化学物理研究所 2022-03-15 CN claimed
CN-111875637-A Phosphine ligand and synthesis method and application thereof 中国科学院兰州化学物理研究所 2020-11-03 CN claimed
CN-103664911-B The method for preparing vilazodone and its intermediate 江苏先声药业有限公司 2017-09-15 CN claimed
CN-103570697-B The method for preparing vilazodone and its intermediate 江苏先声药业有限公司 2017-09-15 CN claimed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-06-18 US disclosed
CN-112654630-B Tetradentate diaminodiphosphine ligands, transition metal complexes, methods for their production and use thereof 高砂香料工业株式会社 2024-05-24 CN disclosed
WO-2024014530-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER, POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY 出光興産株式会社 2024-01-18 WO disclosed
WO-2023243620-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER 出光興産株式会社 2023-12-21 WO disclosed
CN-116655686-A Synthesis method and application of pentavalent and trivalent tridentate phosphine ligand 广东欧凯新材料有限公司 2023-08-29 CN disclosed
CN-116444563-A Novel method for synthesizing triphosphine ligand 广东欧凯新材料有限公司 2023-07-18 CN disclosed
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-07-13 US disclosed
EP-0937023-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1999-08-25 EP disclosed
EP-0937028-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF AN ALKYL 5-FORMYLVALERATE COMPOUND DSM N.V. (NL) 1999-08-25 EP disclosed
WO-1998019990-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF AN ALKYL 5-FORMYLVALERATE COMPOUND DSM N.V. (NL) 1998-05-14 WO disclosed
WO-1998019984-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1998-05-14 WO disclosed
US-5268492-A Optically active diphosphines, intermediates thereof, and processes for production thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1993-12-07 US disclosed
EP-0530015-A1 Optically active diphosphines, intermediates thereof, and processes for production thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-03 EP disclosed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME ADH4, ADH5, PF4 ALDH1A1 219/4885TDP1 2933/4885TSHR 1938/4885
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same ADH4, ADH5, PF4 ALDH1A1 219/4885TDP1 2933/4885TSHR 1938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.